Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0328 | 0.12 | 0.079 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1218 | 0.5115 | 0.5 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.1218 | 0.5115 | 1 |
Echinococcus multilocularis | atpase aaa+ type core atpase aaa type core | 0.0848 | 0.3489 | 0.3487 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0156 | 0.0445 | 0.5 |
Echinococcus multilocularis | thymidylate synthase | 0.0328 | 0.12 | 0.1197 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.1218 | 0.5115 | 0.5 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.1218 | 0.5115 | 0.5 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0003 | 0.0003 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.1218 | 0.5115 | 0.5 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0003 | 0.0003 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.1218 | 0.5115 | 0.5 |
Loa Loa (eye worm) | thymidylate synthase | 0.0328 | 0.12 | 0.12 |
Echinococcus granulosus | thymidylate synthase | 0.0328 | 0.12 | 0.1197 |
Brugia malayi | hypothetical protein | 0.0156 | 0.0445 | 0.0445 |
Onchocerca volvulus | 0.0328 | 0.12 | 0.5 | |
Brugia malayi | thymidylate synthase | 0.0328 | 0.12 | 0.12 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0328 | 0.12 | 0.1197 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
AC50 (functional) | = 1.584893192 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
AC50 (functional) | = 3.16227766 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
Potency (functional) | 1.1689 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 23.1093 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.